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Benfuresate
SpectraBase Compound ID DJVBQaRZCoJ
InChI InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
InChIKey QGQSRQPXXMTJCM-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hosi33F12e
Name Benfuresate
CAS Registry Number 68505-69-1
Classification Herbicide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 256.076930165 u
Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
InChIKey QGQSRQPXXMTJCM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 256.316 g/mol
Nominal Mass 256 u
Quality 981
Retention Index 1888
SMILES C1(C2=C(OC1)C=CC(=C2)OS(CC)(=O)=O)(C)C
SPLASH splash10-03di-2910000000-24850158a12bad00a786
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,3-Dihydro-3,3-dimethylbenzofuran-5-ylethanesulfonate
Technique GC/MS
Wiley ID DD2024_012061